2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine

C7H10F3N — CID 178189970

IUPAC2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine
SMILESC=C1CC(C(N)C(F)(F)F)C1
InChIInChI=1S/C7H10F3N/c1-4-2-5(3-4)6(11)7(8,9)10/h5-6H,1-3,11H2
InChIKeyIMIIQXDSHDPGPH-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.84
Rot. Bonds1

About 2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine

2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine (PubChem CID 178189970) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine
PubChem CID178189970
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine
SMILESC=C1CC(C(N)C(F)(F)F)C1
InChIInChI=1S/C7H10F3N/c1-4-2-5(3-4)6(11)7(8,9)10/h5-6H,1-3,11H2
InChIKeyIMIIQXDSHDPGPH-UHFFFAOYSA-N
XLogP1.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine (CID 178189970) is 2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine is C=C1CC(C(N)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine?
The InChIKey is IMIIQXDSHDPGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-4-2-5(3-4)6(11)7(8,9)10/h5-6H,1-3,11H2.
What are the key properties of 2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine?
2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine has a molecular weight of 165.16 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methylidenecyclobutyl)ethanamine is sourced from PubChem (CID 178189970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).